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Title: Materials Data on VO2 by Materials Project

Abstract

VO2 is trigonal omega-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of two VO2 sheets oriented in the (0, 1, 0) direction. there are three inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.88–2.04 Å. In the second V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.90–2.02 Å. In the third V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.89–2.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V4+more » atoms.« less

Authors:
Publication Date:
Other Number(s):
mvc-13223
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; VO2; O-V
OSTI Identifier:
1318818
DOI:
https://doi.org/10.17188/1318818

Citation Formats

The Materials Project. Materials Data on VO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1318818.
The Materials Project. Materials Data on VO2 by Materials Project. United States. doi:https://doi.org/10.17188/1318818
The Materials Project. 2020. "Materials Data on VO2 by Materials Project". United States. doi:https://doi.org/10.17188/1318818. https://www.osti.gov/servlets/purl/1318818. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1318818,
title = {Materials Data on VO2 by Materials Project},
author = {The Materials Project},
abstractNote = {VO2 is trigonal omega-like structured and crystallizes in the monoclinic P2_1/m space group. The structure is two-dimensional and consists of two VO2 sheets oriented in the (0, 1, 0) direction. there are three inequivalent V4+ sites. In the first V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.88–2.04 Å. In the second V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.90–2.02 Å. In the third V4+ site, V4+ is bonded to six O2- atoms to form edge-sharing VO6 octahedra. There are a spread of V–O bond distances ranging from 1.89–2.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V4+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V4+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V4+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V4+ atoms.},
doi = {10.17188/1318818},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}